M446-0168 Screening compound: ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M446-0168 Screening compound: ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M446-0168 Screening compound: ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0168
ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M446-0168

Molecular Formula

C23H21N5O5 (C23 H21 N5 O5)

Compound Name

ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[8-(4-methylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN1N=C(C(Oc2ccc(C)cc2)=NC=C2)N2C1=O)=O)=O

InChI

InChI=1S/C23H21N5O5/c1-3-32-22(30)17-6-4-5-7-18(17)25-19(29)14-28-23(31)27-13-12-24-21(20(27)26-28)33-16-10-8-15(2)9-11-16/h4-13H,3,14H2,1-2H3,(H,25,29)

InChI Key

QQEJOTIZECBDEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.883

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.31

Polar Surface Area

90.270

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M446-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M446-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0168?
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What is the minimum amount of M446-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0168
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M446-0168 available by request